3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide

C17H17F3N4O — CID 71890557

IUPAC3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide
SMILESO=C(C=C(C1CC1)C1CC1)NCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)12-5-6-14-22-23-15(24(14)9-12)8-21-16(25)7-13(10-1-2-10)11-3-4-11/h5-7,9-11H,1-4,8H2,(H,21,25)
InChIKeyZOKYKUPRSYCJGR-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.11
Rot. Bonds5

About 3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide

3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide (PubChem CID 71890557) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide
PubChem CID71890557
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide
SMILESO=C(C=C(C1CC1)C1CC1)NCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)12-5-6-14-22-23-15(24(14)9-12)8-21-16(25)7-13(10-1-2-10)11-3-4-11/h5-7,9-11H,1-4,8H2,(H,21,25)
InChIKeyZOKYKUPRSYCJGR-UHFFFAOYSA-N
XLogP3.11
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18100245
1-cyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 43655456
2-(4-phenylphenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 24523382
3,5-bis(trifluoromethyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 16571785
N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide
CID 24596936
(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide
CID 33480155
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18122095
1-(3-methylphenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea
CID 31770733
3-(2,3-dichlorophenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
CID 38934796
5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 18126401
3-(4-tert-butylphenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
CID 18126369
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 18126415

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide?
The IUPAC name of 3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide (CID 71890557) is 3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide?
The canonical SMILES for 3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide is O=C(C=C(C1CC1)C1CC1)NCc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide?
The InChIKey is ZOKYKUPRSYCJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)12-5-6-14-22-23-15(24(14)9-12)8-21-16(25)7-13(10-1-2-10)11-3-4-11/h5-7,9-11H,1-4,8H2,(H,21,25).
What are the key properties of 3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide?
3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide has a molecular weight of 350.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 71890557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).